CID 16447969

624725-77-5

Structural Information

Molecular Formula
C17H17N5O2S
SMILES
CCOC1=CC=C(C=C1)C2=NNC(=S)N2N/N=C/C3=CC(=CC=C3)O
InChI
InChI=1S/C17H17N5O2S/c1-2-24-15-8-6-13(7-9-15)16-19-20-17(25)22(16)21-18-11-12-4-3-5-14(23)10-12/h3-11,21,23H,2H2,1H3,(H,20,25)/b18-11+
InChIKey
JRYQRNMVBZMTNQ-WOJGMQOQSA-N
Compound name
3-(4-ethoxyphenyl)-4-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.1103 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.117576 180.7
[M+Na]+ 378.099518 189.7
[M-H]- 354.103024 186.4
[M+NH4]+ 373.144123 190.8
[M+K]+ 394.073458 182.0
[M+H-H2O]+ 338.107560 171.0
[M+HCOO]- 400.108501 198.7
[M+CH3COO]- 414.124151 190.5
[M+Na-2H]- 376.084966 182.5
[M]+ 355.10975142 182.6
[M]- 355.11084858 182.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.